4-(2-bromo-4-fluoroanilino)benzonitrile

C13H8BrFN2 — CID 28939526

IUPAC4-(2-bromo-4-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2ccc(F)cc2Br)cc1
InChIInChI=1S/C13H8BrFN2/c14-12-7-10(15)3-6-13(12)17-11-4-1-9(8-16)2-5-11/h1-7,17H
InChIKeyQZONYMZCVNOYAO-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.20
Rot. Bonds2

About 4-(2-bromo-4-fluoroanilino)benzonitrile

4-(2-bromo-4-fluoroanilino)benzonitrile (PubChem CID 28939526) has the molecular formula C13H8BrFN2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 4-(2-bromo-4-fluoroanilino)benzonitrile.

Molecular Properties

Compound Name4-(2-bromo-4-fluoroanilino)benzonitrile
PubChem CID28939526
Molecular FormulaC13H8BrFN2
Molecular Weight291.12 g/mol
Exact Mass289.99
IUPAC Name4-(2-bromo-4-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2ccc(F)cc2Br)cc1
InChIInChI=1S/C13H8BrFN2/c14-12-7-10(15)3-6-13(12)17-11-4-1-9(8-16)2-5-11/h1-7,17H
InChIKeyQZONYMZCVNOYAO-UHFFFAOYSA-N
XLogP4.20
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-4-fluoroanilino)-3-chlorobenzonitrile
CID 63510761
4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzonitrile
CID 81283463
2-amino-5-(2-bromo-4-fluoroanilino)benzonitrile
CID 115499059
2-bromo-4-fluoro-N-phenylaniline
CID 121009691
3-bromo-4-(4-fluoro-2-methoxyanilino)benzonitrile
CID 82798283
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
4-(4-fluoroanilino)-3-methylbenzonitrile
CID 54933992
2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
CID 63510593
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
3-bromo-4-[(6-methyl-3-pyridinyl)amino]benzonitrile
CID 82798416
4-(2-bromo-6-fluoroanilino)benzonitrile
CID 107600374
3-bromo-4-[4-(diethylamino)anilino]benzonitrile
CID 82785653

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluoroanilino)benzonitrile?
The IUPAC name of 4-(2-bromo-4-fluoroanilino)benzonitrile (CID 28939526) is 4-(2-bromo-4-fluoroanilino)benzonitrile.
What is the SMILES notation for 4-(2-bromo-4-fluoroanilino)benzonitrile?
The canonical SMILES for 4-(2-bromo-4-fluoroanilino)benzonitrile is N#Cc1ccc(Nc2ccc(F)cc2Br)cc1.
What is the InChIKey of 4-(2-bromo-4-fluoroanilino)benzonitrile?
The InChIKey is QZONYMZCVNOYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2/c14-12-7-10(15)3-6-13(12)17-11-4-1-9(8-16)2-5-11/h1-7,17H.
What are the key properties of 4-(2-bromo-4-fluoroanilino)benzonitrile?
4-(2-bromo-4-fluoroanilino)benzonitrile has a molecular weight of 291.12 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluoroanilino)benzonitrile is sourced from PubChem (CID 28939526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).